2-Methyl-2,6-diazaspiro[3.3]heptane Oxalate - CAS 1810070-20-2

Catalog:	BB059259
Product Name:	2-Methyl-2,6-diazaspiro[3.3]heptane Oxalate
CAS:	1810070-20-2
Synonyms:	2-Methyl-2,6-diazaspiro[3.3]heptane oxalate; 2-methyl-2,6-diazaspiro[3.3]heptane; oxalic acid; 2-methyl-2,6-diazaspiro[3.3]heptane; oxalic acid

Technical Data

IUPAC Name:	2-methyl-2,6-diazaspiro[3.3]heptaneoxalic acid
Description:	2-Methyl-2,6-diazaspiro[3.3]heptane Oxalate is used as a reactant in the preparation of amido-substituted cyclohexane derivatives as anticancer agents.
Molecular Weight:	112.17 + 90.03
Molecular Formula:	C6H12N2·C2H2O4
Canonical SMILES:	CN1CC2(C1)CNC2.C(=O)(C(=O)O)O
InChI:	InChI=1S/C6H12N2.C2H2O4/c1-8-4-6(5-8)2-7-3-63-1(4)2(5)6/h7H,2-5H2,1H3(H,3,4)(H,5,6)
InChI Key:	IBNDLDKHLKDDRZ-UHFFFAOYSA-N
References:	Els, K., et al. PCT Int. Appl. (2016), WO 2016177658 A1 20161110.

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.09535693
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	202.09535693
Rotatable Bond Count:	1
Topological Polar Surface Area:	89.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0